- InChI
- InChI=1S/C16H17Cl5O4/c1-4-5-6-7-24-14(22)16(2,3)15(23)25-13-11(20)9(18)8(17)10(19)12(13)21/h4-7H2,1-3H3
- InChI Key
- NEPNDOICGJFDPC-UHFFFAOYSA-N
- Formula
- C16H17Cl5O4
- SMILES
-
CCCCCOC(=O)C(C)(C)C(=O)Oc1c(Cl
)c(Cl)c(Cl)c(Cl)c1Cl - Molecular Weight1
- 450.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -376.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -771.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.74 | kJ/mol | Joback Calculated Property |
| log10WS | -7.18 | Crippen Calculated Property | |
| logPoct/wat | 6.619 | Crippen Calculated Property | |
| McVol | 288.620 | ml/mol | McGowan Calculated Property |
| Pc | 1511.67 | kPa | Joback Calculated Property |
| Inp | [2735.00; 2735.00] |
|
|
| Inp | 2735.00 | NIST | |
| Inp | 2735.00 | NIST | |
| Tboil | 953.56 | K | Joback Calculated Property |
| Tc | 1184.98 | K | Joback Calculated Property |
| Tfus | 655.44 | K | Joback Calculated Property |
| Vc | 1.105 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [757.98; 797.95] | J/mol×K | [953.56; 1184.98] |
|
| Cp,gas | 757.98 | J/mol×K | 953.56 | Joback Calculated Property |
| Cp,gas | 767.17 | J/mol×K | 992.13 | Joback Calculated Property |
| Cp,gas | 775.31 | J/mol×K | 1030.70 | Joback Calculated Property |
| Cp,gas | 782.44 | J/mol×K | 1069.27 | Joback Calculated Property |
| Cp,gas | 788.58 | J/mol×K | 1107.84 | Joback Calculated Property |
| Cp,gas | 793.74 | J/mol×K | 1146.41 | Joback Calculated Property |
| Cp,gas | 797.95 | J/mol×K | 1184.98 | Joback Calculated Property |
| η | [0.0000367; 0.0001883] | Pa×s | [655.44; 953.56] |
|
| η | 0.0001883 | Pa×s | 655.44 | Joback Calculated Property |
| η | 0.0001302 | Pa×s | 705.13 | Joback Calculated Property |
| η | 0.0000946 | Pa×s | 754.81 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 804.50 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 854.19 | Joback Calculated Property |
| η | 0.0000447 | Pa×s | 903.87 | Joback Calculated Property |
| η | 0.0000367 | Pa×s | 953.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, pentachlorophenyl pentyl ester.
Sources
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